2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid

C15H23NO3 — CID 115496222

IUPAC2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
SMILESCC(Cc1ccc(O)cc1)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(9-12-5-7-13(17)8-6-12)16(10-14(18)19)15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyXOILSDOEHYTKJJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.51
Rot. Bonds5

About 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid

2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid (PubChem CID 115496222) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
PubChem CID115496222
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
SMILESCC(Cc1ccc(O)cc1)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(9-12-5-7-13(17)8-6-12)16(10-14(18)19)15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyXOILSDOEHYTKJJ-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[1-(3-fluorophenyl)propan-2-yl]amino]acetic acid
CID 114834825
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-tert-butylamino]acetic acid
CID 104905324
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
CID 79266696
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 10587477
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
CID 114081567

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid (CID 115496222) is 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid is CC(Cc1ccc(O)cc1)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid?
The InChIKey is XOILSDOEHYTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(9-12-5-7-13(17)8-6-12)16(10-14(18)19)15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid?
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 115496222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).